! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
S    1.0386203109   1.6489693200  -1.5608297366
F    0.4178482445  -3.1083469976   1.1018862774
F    2.1640589475  -4.3273132257   1.4142668233
F    1.6134859629  -3.7199357810  -0.5758508421
O    0.9559697247   2.9849148685  -2.1112699830
O    1.0298036772   0.5131957686  -2.4645323537
O   -0.0516482444   3.2250210351   0.7088914890
O   -3.2316657974  -1.8863633931  -1.1521826925
N   -0.2829223643   1.3696020622  -0.5793441916
N   -1.9325877447   1.9974905034   0.9349041215
N   -3.9868075931   1.0995826666   1.3255034200
N   -2.5152708575   0.0331101740  -0.1639227545
N   -4.6443210187  -0.8761026192   0.2347997989
C    2.7992884337   0.3737081548   0.1771875002
C    2.0083039083  -0.9028650982   0.0312991972
C    2.4285040422   1.5676425799  -0.4649734936
C    2.5335199247  -2.0700366690   0.8566213278
C    3.9369952593   0.4317170143   0.9752369919
C    3.1456772372   2.7458549304  -0.3084123955
C    1.6852616954  -3.3017085698   0.6974670874
C    4.6673712699   1.6016752647   1.1316757783
C    4.2739656998   2.7635802395   0.4936477188
C   -0.7004260202   2.2638752168   0.3682200578
C   -2.8370166033   1.0045090131   0.6822720017
C   -4.8640041588   0.1348591284   1.0619914272
C   -3.4546416569  -0.8794253482  -0.3449471063
C   -6.1894839727   0.2219695219   1.7285203404
C   -1.9624462866  -2.0020771152  -1.7920009711
H    0.9745658591  -0.7020591245   0.3218209157
H    1.9902551412  -1.1858713184  -1.0208016168
H    3.5506131349  -2.3313223199   0.5593875946
H    2.5561188004  -1.8228941968   1.9198212129
H    4.2765583678  -0.4523141130   1.4957425569
H    2.8338747892   3.6523005179  -0.8063020663
H    5.5477884195   1.5972642862   1.7604788348
H    4.8336374660   3.6804945627   0.6153424060
H   -0.9069033620   0.5883445204  -0.8163543321
H   -2.2312452876   2.6828994724   1.6177168984
H   -6.0771661716   0.4754723810   2.7817423787
H   -6.7763725746   1.0194951728   1.2681301915
H   -6.7428018225  -0.7084001234   1.6329261478
H   -2.0254802816  -2.8933405647  -2.4096717798
H   -1.1622759282  -2.1351952740  -1.0636532346
H   -1.7492441411  -1.1447039933  -2.4305272441
*